N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]pentan-2-amine

C12H25N5 — CID 62433817

IUPACN-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]pentan-2-amine
SMILESCCCC(C)N(C)CCn1cc(CNC)nn1
InChIInChI=1S/C12H25N5/c1-5-6-11(2)16(4)7-8-17-10-12(9-13-3)14-15-17/h10-11,13H,5-9H2,1-4H3
InChIKeyGHSQGZKLLZAXGU-UHFFFAOYSA-N
MW239.37 g/mol
LogP1.12
Rot. Bonds8

About N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]pentan-2-amine

N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]pentan-2-amine (PubChem CID 62433817) has the molecular formula C12H25N5 and a molecular weight of 239.37 g/mol. Its IUPAC name is N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]pentan-2-amine.

Molecular Properties

Compound NameN-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]pentan-2-amine
PubChem CID62433817
Molecular FormulaC12H25N5
Molecular Weight239.37 g/mol
Exact Mass239.21
IUPAC NameN-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]pentan-2-amine
SMILESCCCC(C)N(C)CCn1cc(CNC)nn1
InChIInChI=1S/C12H25N5/c1-5-6-11(2)16(4)7-8-17-10-12(9-13-3)14-15-17/h10-11,13H,5-9H2,1-4H3
InChIKeyGHSQGZKLLZAXGU-UHFFFAOYSA-N
XLogP1.12
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.37
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethyl]pentan-2-amine
CID 55074863
N-methyl-N-[2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]ethyl]butan-2-amine
CID 62418960
2-[4-(methylaminomethyl)triazol-1-yl]-N-pentan-2-ylacetamide
CID 66192119
N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylsulfanylethyl)ethanamine
CID 112665539
N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]aniline
CID 55069971
N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N,3,3-trimethylbutan-2-amine
CID 62426850
N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylsulfonylethyl)ethanamine
CID 79859325
N-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]-N,3-dimethylbutan-2-amine
CID 62432654
N,N,N'-trimethyl-N'-[2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethyl]ethane-1,2-diamine
CID 63727022
N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-methylpropan-1-amine
CID 62417936
N-methyl-1-[1-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]triazol-4-yl]methanamine
CID 103503296
N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-propan-2-ylpentan-1-amine
CID 62463402

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]pentan-2-amine?
The IUPAC name of N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]pentan-2-amine (CID 62433817) is N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]pentan-2-amine.
What is the SMILES notation for N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]pentan-2-amine?
The canonical SMILES for N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]pentan-2-amine is CCCC(C)N(C)CCn1cc(CNC)nn1.
What is the InChIKey of N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]pentan-2-amine?
The InChIKey is GHSQGZKLLZAXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N5/c1-5-6-11(2)16(4)7-8-17-10-12(9-13-3)14-15-17/h10-11,13H,5-9H2,1-4H3.
What are the key properties of N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]pentan-2-amine?
N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]pentan-2-amine has a molecular weight of 239.37 g/mol, XLogP of 1.12, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]pentan-2-amine is sourced from PubChem (CID 62433817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).